1-(1-methylsulfanylethenyl)pyrrolidine

C7H13NS — CID 102249014

IUPAC1-(1-methylsulfanylethenyl)pyrrolidine
SMILESC=C(SC)N1CCCC1
InChIInChI=1S/C7H13NS/c1-7(9-2)8-5-3-4-6-8/h1,3-6H2,2H3
InChIKeySPNKPONUXKRAFU-UHFFFAOYSA-N
MW143.25 g/mol
LogP1.92
Rot. Bonds2

About 1-(1-methylsulfanylethenyl)pyrrolidine

1-(1-methylsulfanylethenyl)pyrrolidine (PubChem CID 102249014) has the molecular formula C7H13NS and a molecular weight of 143.25 g/mol. Its IUPAC name is 1-(1-methylsulfanylethenyl)pyrrolidine.

Molecular Properties

Compound Name1-(1-methylsulfanylethenyl)pyrrolidine
PubChem CID102249014
Molecular FormulaC7H13NS
Molecular Weight143.25 g/mol
Exact Mass143.08
IUPAC Name1-(1-methylsulfanylethenyl)pyrrolidine
SMILESC=C(SC)N1CCCC1
InChIInChI=1S/C7H13NS/c1-7(9-2)8-5-3-4-6-8/h1,3-6H2,2H3
InChIKeySPNKPONUXKRAFU-UHFFFAOYSA-N
XLogP1.92
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.25
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3,5,5-Trimethyl-2-methylidene-1,3-thiazolidine
CID 59165056
3-Ethyl-2-methylidene-1,3-thiazolidine
CID 59958523
1-Pyrrolidin-1-ylethenethiol
CID 148311783
(3S)-3-methyl-1-(1-methylsulfanylethenyl)pyrrolidine
CID 163477615
1-[(Z)-1-methylsulfanylprop-1-enyl]pyrrolidine
CID 21721328
3,5-Dimethyl-2-methylidene-1,3-thiazolidine
CID 86018233
3,5-Diethyl-2-methylidene-1,3-thiazolidine
CID 143042511

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylsulfanylethenyl)pyrrolidine?
The IUPAC name of 1-(1-methylsulfanylethenyl)pyrrolidine (CID 102249014) is 1-(1-methylsulfanylethenyl)pyrrolidine.
What is the SMILES notation for 1-(1-methylsulfanylethenyl)pyrrolidine?
The canonical SMILES for 1-(1-methylsulfanylethenyl)pyrrolidine is C=C(SC)N1CCCC1.
What is the InChIKey of 1-(1-methylsulfanylethenyl)pyrrolidine?
The InChIKey is SPNKPONUXKRAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NS/c1-7(9-2)8-5-3-4-6-8/h1,3-6H2,2H3.
What are the key properties of 1-(1-methylsulfanylethenyl)pyrrolidine?
1-(1-methylsulfanylethenyl)pyrrolidine has a molecular weight of 143.25 g/mol, XLogP of 1.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylsulfanylethenyl)pyrrolidine is sourced from PubChem (CID 102249014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).